UCSF

ZINC00332648

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 11 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.68 2.94 -6.39 2 2 0 39 144.177 0
Mid Mid (pH 6-8) 1.68 3.21 -29.02 3 2 1 40 145.185 0

Vendor Notes

Note Type Comments Provided By
MP 107-113° Oakwood Chemical
MP 269 - 271 Enamine Building Blocks
MP 269...271 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 97% Matrix Scientific
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )